Case Studies

Dispersed Structure and Nonlinear Structural Analysis of Carbon Nanotubes

A simulation of the dispersed structure of carbon nanotubes (CNT) in microphase separation of block copolymers is conducted. Calculations using the DPD included in COGNAC were conducted with reference to Reference (1).

The settings were such that CNTs like blue components and dislike light blue components, and rigidity of CNT was applied by angle potential.


Fig1. Polymer phase separation using DPD(left) and CNTs in the same system(right).

The DPD results (2D) were converted into mesh data (Fig. 2). Thin elements were set at the interfaces between CNT and polymer so that interface parameters could be set in the Finite Element Analysis (FEA).


Fig2. 2D mesh data created from DPD results. (Red region=CNTs, Blue region=polymer)

A nonlinear structural analysis under uniaxial elongation using LS-DYNA was conducted based on the created mesh (Fig. 3). The results show that, after separation occurs at the interfaces, it spreads into the polymer regions and affects the stress-strain characteristics of the entire system.


Fig3. Stress distribution under elongation simulation using LS-DYNA.

Reference
(1) Appl. Phys. Lett., 90, 033116, (2007)
(2) T.Ozawa, The Japan Society for Computational Engineering and Science (JSCES) 17th Annual Conference, (2012)




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